4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-furan-2-carboxylic acid

Systemtic Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-furan-2-carboxylic acid Openeye Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-furan-2-carboxylic acid CAS Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-2-furancarboxylic acid IUPAC Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methylfuran-2-carboxylic acid Traditional Name: 4-[7-[(3-chlorophenyl)sulfamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-2-furoic acid Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(OC=C1N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl)C(=O)O

InChI

InChI=1S/C21H19ClN2O5S/c1-13-19(12-29-20(13)21(25)26)24-8-7-14-5-6-18(9-15(14)11-24)30(27,28)23-17-4-2-3-16(22)10-17/h2-6,9-10,12,23H,7-8,11H2,1H3,(H,25,26)